Metasequirin F

Properties Image MNX_ID MNXM106579 reference chebi:69966 formula C18H20O6 global charge 0 mol weight 332.352 InChIKey QRAWLYDCXXTJQC-DDBAPUKQSA-N InChI InChI=1S/C18H20O6/c1-23-15-8-11(4-7-13(15)20)17(22)18-16(14(21)9-24-18)10-2-5-12(19)6-3-10/h2-8,14,16-22H,9H2,1H3/t14-,16-,17-,18+/m1/s1 SMILES COC1=C(O)C=CC([C@@H](O)[C@H]2OC[C@@H](O)[C@H]2C2=CC=C(O)C=C2)=C1 MNX internals InChI (mnx) InChI=1/C18H20O6/c1-23-15-8-11(4-7-13(15)20)17(22)18-16(14(21)9-24-18)10-2-5-12(19)6-3-10/h2-8,14,16-22H,9H2,1H3/t14-,16-,17-,18+/m1/s1 SMILES (mnx) [CH3:1][O:23][C:15]1=[C:13]([OH:20])[CH:7]=[CH:4][C:11]([C@H:17]([C@@H:18]2[C@H:16]([C:10]3=[CH:3][CH:6]=[C:12]([OH:19])[CH:5]=[CH:2]3)[C@H:14]([OH:21])[CH2:9][O:24]2)[OH:22])=[CH:8]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0